IBS-ZINC05451237 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.1330 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.2010 4.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -2.3020 5.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -3.5670 4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 -4.4930 5.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -4.1790 6.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -2.9330 6.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -1.9840 6.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -0.6010 6.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -0.1700 5.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 1.1340 5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 1.5430 4.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 1.9470 6.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 1.4610 7.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 0.2370 7.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 2.6930 8.8200 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 3.9740 8.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 3.3180 6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -5.0990 6.6690 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.1250 3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -0.4500 3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -3.8210 3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -5.4720 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -2.6910 7.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 4.8520 7.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 4.2450 8.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 3.3090 7.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 3.9100 6.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END